################################################################################ # # TRIQS: a Toolbox for Research in Interacting Quantum Systems # # Copyright (C) 2011 by M. Aichhorn, L. Pourovskii, V. Vildosola # # TRIQS is free software: you can redistribute it and/or modify it under the # terms of the GNU General Public License as published by the Free Software # Foundation, either version 3 of the License, or (at your option) any later # version. # # TRIQS is distributed in the hope that it will be useful, but WITHOUT ANY # WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS # FOR A PARTICULAR PURPOSE. See the GNU General Public License for more # details. # # You should have received a copy of the GNU General Public License along with # TRIQS. If not, see . # ################################################################################ from pytriqs.archive import * from pytriqs.utility.comparison_tests import * from pytriqs.utility.h5diff import h5diff import pytriqs.utility.mpi as mpi from triqs_dft_tools.converters import Wien2kConverter Converter = Wien2kConverter(filename='SrVO3') Converter.hdf_file = 'wien2k_convert.out.h5' Converter.convert_dft_input() Converter.convert_parproj_input() if mpi.is_master_node(): h5diff('wien2k_convert.out.h5','wien2k_convert.ref.h5')